| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 26 | Yes |
Popular Name: (2S)-2-[[4-(benzylamino)-8-isopropyl-pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol (2S)-2-[[4-(benzylamino)-8-isopr…
None
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.24 | 11.51 | -24.59 | 4 | 7 | 1 | 89 | 355.466 | 8 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 11.02 | -8.91 | 3 | 7 | 0 | 87 | 354.458 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CDK5-1-E | Cyclin-dependent Kinase 5 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 130 | 0.37 | Binding ≤ 10μM |
| Z80936-1-O | HEK293 (Embryonic Kidney Fibroblasts) (cluster #1 Of 4), Other | Other | 7200 | 0.28 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CDK5_HUMAN | Q00535 | Cyclin-dependent Kinase 5, Human | 130 | 0.37 | Binding ≤ 1μM |
| CDK5_HUMAN | Q00535 | Cyclin-dependent Kinase 5, Human | 130 | 0.37 | Binding ≤ 10μM |
| Z80936 | Z80936 | HEK293 (Embryonic Kidney Fibroblasts) | 7200 | 0.28 | ADME/T ≤ 10μM |
| Description | Species |
|---|---|
| CRMPs in Sema3A signaling | |
| DARPP-32 events | |
| Factors involved in megakaryocyte development and platelet production |
